Compound registry
KIN-07 · EGFR mutant-selective — structures, computed properties and batches
Series
Status
| Structure | Compound | Series | R-groups | Formula | MW | cLogP | TPSA (Ų) | Batches | pIC50 mut | Status |
|---|---|---|---|---|---|---|---|---|---|---|
| AFN-002600 | A | R1 SO2Me · R2 CF3 · Ar Phenyl | C18H14F3N3O2S | 393.4 | 4.31 | 72.0 | 0 | — | designed | |
| AFN-002601 | A | R1 SO2Me · R2 CF3 · Ar Pyridin-3-yl | C17H13F3N4O2S | 394.4 | 3.70 | 84.8 | 1 | 7.14 | tested | |
| AFN-002602 | A | R1 SO2Me · R2 CF3 · Ar Pyridin-4-yl | C17H13F3N4O2S | 394.4 | 3.70 | 84.8 | 0 | — | designed | |
| AFN-002603 | A | R1 SO2Me · R2 CF3 · Ar Pyridin-2-yl | C17H13F3N4O2S | 394.4 | 3.70 | 84.8 | 0 | — | designed | |
| AFN-002604 | A | R1 SO2Me · R2 CF3 · Ar 3-F-phenyl | C18H13F4N3O2S | 411.4 | 4.45 | 72.0 | 0 | — | designed | |
| AFN-002605 | A | R1 SO2Me · R2 CF3 · Ar 4-F-phenyl | C18H13F4N3O2S | 411.4 | 4.45 | 72.0 | 0 | — | designed | |
| AFN-002606 | A | R1 SO2Me · R2 CF3 · Ar 3-Cl-phenyl | C18H13ClF3N3O2S | 427.8 | 4.96 | 72.0 | 0 | — | designed | |
| AFN-002607 | A | R1 SO2Me · R2 CF3 · Ar 3-MeO-phenyl | C19H16F3N3O3S | 423.4 | 4.32 | 81.2 | 0 | — | designed | |
| AFN-002608 | A | R1 SO2Me · R2 CF3 · Ar 2-MeO-phenyl | C19H16F3N3O3S | 423.4 | 4.32 | 81.2 | 0 | — | designed | |
| AFN-002609 | A | R1 SO2Me · R2 CF3 · Ar 3-CN-phenyl | C19H13F3N4O2S | 418.4 | 4.18 | 95.7 | 0 | — | designed | |
| AFN-002610 | A | R1 SO2Me · R2 CF3 · Ar 3,5-diF-phenyl | C18H12F5N3O2S | 429.4 | 4.59 | 72.0 | 0 | — | designed | |
| AFN-002611 | A | R1 SO2Me · R2 CF3 · Ar Thiophen-2-yl | C16H12F3N3O2S2 | 399.4 | 4.37 | 72.0 | 0 | — | designed | |
| AFN-002612 | A | R1 SO2Me · R2 CF3 · Ar Thiophen-3-yl | C16H12F3N3O2S2 | 399.4 | 4.37 | 72.0 | 0 | — | designed | |
| AFN-002613 | A | R1 SO2Me · R2 CF3 · Ar Furan-3-yl | C16H12F3N3O3S | 383.4 | 3.90 | 85.1 | 0 | — | designed | |
| AFN-002614 | A | R1 SO2Me · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C16H14F3N5O2S | 397.4 | 3.04 | 89.8 | 0 | — | designed | |
| AFN-002615 | A | R1 SO2Me · R2 CF3 · Ar 1-Me-indol-3-yl | C21H17F3N4O2S | 446.4 | 4.80 | 76.9 | 0 | — | designed | |
| AFN-002616 | A | R1 SO2Me · R2 CF3 · Ar Naphthalen-2-yl | C22H16F3N3O2S | 443.4 | 5.46 | 72.0 | 0 | — | designed | |
| AFN-002617 | A | R1 SO2Me · R2 CF3 · Ar Pyrimidin-5-yl | C16H12F3N5O2S | 395.4 | 3.10 | 97.7 | 0 | — | designed | |
| AFN-002618 | A | R1 SO2Me · R2 CF3 · Ar Quinolin-3-yl | C21H15F3N4O2S | 444.4 | 4.86 | 84.8 | 0 | — | designed | |
| AFN-002619 | A | R1 SO2Me · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C18H15F3N4O3S | 424.4 | 3.71 | 94.1 | 0 | — | designed | |
| AFN-002620 | A | R1 SO2Me · R2 CN · Ar Phenyl | C18H14N4O2S | 350.4 | 3.16 | 95.7 | 0 | — | designed | |
| AFN-002621 | A | R1 SO2Me · R2 CN · Ar Pyridin-3-yl | C17H13N5O2S | 351.4 | 2.56 | 108.6 | 1 | 7.81 | tested | |
| AFN-002622 | A | R1 SO2Me · R2 CN · Ar Pyridin-4-yl | C17H13N5O2S | 351.4 | 2.56 | 108.6 | 1 | 7.29 | tested | |
| AFN-002623 | A | R1 SO2Me · R2 CN · Ar Pyridin-2-yl | C17H13N5O2S | 351.4 | 2.56 | 108.6 | 0 | — | designed | |
| AFN-002624 | A | R1 SO2Me · R2 CN · Ar 3-F-phenyl | C18H13FN4O2S | 368.4 | 3.30 | 95.7 | 0 | — | designed | |
| AFN-002625 | A | R1 SO2Me · R2 CN · Ar 4-F-phenyl | C18H13FN4O2S | 368.4 | 3.30 | 95.7 | 0 | — | designed | |
| AFN-002626 | A | R1 SO2Me · R2 CN · Ar 3-Cl-phenyl | C18H13ClN4O2S | 384.9 | 3.82 | 95.7 | 0 | — | designed | |
| AFN-002627 | A | R1 SO2Me · R2 CN · Ar 3-MeO-phenyl | C19H16N4O3S | 380.4 | 3.17 | 105.0 | 0 | — | designed | |
| AFN-002628 | A | R1 SO2Me · R2 CN · Ar 2-MeO-phenyl | C19H16N4O3S | 380.4 | 3.17 | 105.0 | 1 | 6.72 | tested | |
| AFN-002629 | A | R1 SO2Me · R2 CN · Ar 3-CN-phenyl | C19H13N5O2S | 375.4 | 3.03 | 119.5 | 1 | 7.22 | tested | |
| AFN-002630 | A | R1 SO2Me · R2 CN · Ar 3,5-diF-phenyl | C18H12F2N4O2S | 386.4 | 3.44 | 95.7 | 0 | — | designed | |
| AFN-002631 | A | R1 SO2Me · R2 CN · Ar Thiophen-2-yl | C16H12N4O2S2 | 356.4 | 3.22 | 95.7 | 1 | 6.85 | tested | |
| AFN-002632 | A | R1 SO2Me · R2 CN · Ar Thiophen-3-yl | C16H12N4O2S2 | 356.4 | 3.22 | 95.7 | 0 | — | designed | |
| AFN-002633 | A | R1 SO2Me · R2 CN · Ar Furan-3-yl | C16H12N4O3S | 340.4 | 2.76 | 108.9 | 0 | — | designed | |
| AFN-002634 | A | R1 SO2Me · R2 CN · Ar 1-Me-pyrazol-4-yl | C16H14N6O2S | 354.4 | 1.90 | 113.6 | 1 | 7.35 | tested | |
| AFN-002635 | A | R1 SO2Me · R2 CN · Ar 1-Me-indol-3-yl | C21H17N5O2S | 403.5 | 3.65 | 100.7 | 0 | — | designed | |
| AFN-002636 | A | R1 SO2Me · R2 CN · Ar Naphthalen-2-yl | C22H16N4O2S | 400.5 | 4.32 | 95.7 | 0 | — | designed | |
| AFN-002637 | A | R1 SO2Me · R2 CN · Ar Pyrimidin-5-yl | C16H12N6O2S | 352.4 | 1.95 | 121.5 | 0 | — | designed | |
| AFN-002638 | A | R1 SO2Me · R2 CN · Ar Quinolin-3-yl | C21H15N5O2S | 401.4 | 3.71 | 108.6 | 0 | — | designed | |
| AFN-002639 | A | R1 SO2Me · R2 CN · Ar 6-MeO-pyridin-3-yl | C18H15N5O3S | 381.4 | 2.57 | 117.9 | 0 | — | designed | |
| AFN-002640 | A | R1 SO2Me · R2 OMe · Ar Phenyl | C18H17N3O3S | 355.4 | 3.30 | 81.2 | 0 | — | designed | |
| AFN-002641 | A | R1 SO2Me · R2 OMe · Ar Pyridin-3-yl | C17H16N4O3S | 356.4 | 2.69 | 94.1 | 0 | — | designed | |
| AFN-002642 | A | R1 SO2Me · R2 OMe · Ar Pyridin-4-yl | C17H16N4O3S | 356.4 | 2.69 | 94.1 | 0 | — | designed | |
| AFN-002643 | A | R1 SO2Me · R2 OMe · Ar Pyridin-2-yl | C17H16N4O3S | 356.4 | 2.69 | 94.1 | 0 | — | designed | |
| AFN-002644 | A | R1 SO2Me · R2 OMe · Ar 3-F-phenyl | C18H16FN3O3S | 373.4 | 3.44 | 81.2 | 0 | — | designed | |
| AFN-002645 | A | R1 SO2Me · R2 OMe · Ar 4-F-phenyl | C18H16FN3O3S | 373.4 | 3.44 | 81.2 | 0 | — | designed | |
| AFN-002646 | A | R1 SO2Me · R2 OMe · Ar 3-Cl-phenyl | C18H16ClN3O3S | 389.9 | 3.95 | 81.2 | 0 | — | designed | |
| AFN-002647 | A | R1 SO2Me · R2 OMe · Ar 3-MeO-phenyl | C19H19N3O4S | 385.4 | 3.31 | 90.4 | 0 | — | designed | |
| AFN-002648 | A | R1 SO2Me · R2 OMe · Ar 2-MeO-phenyl | C19H19N3O4S | 385.4 | 3.31 | 90.4 | 0 | — | designed | |
| AFN-002649 | A | R1 SO2Me · R2 OMe · Ar 3-CN-phenyl | C19H16N4O3S | 380.4 | 3.17 | 105.0 | 0 | — | designed |
Properties calculated with RDKit offline, not at runtimeSubstructure: our own screen fingerprint, then VF2 matching — no RDKit at runtimepIC50 mut = mean of approved fits on ASY-EGFR-TM-03